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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 109 records · Page 6

TeV Neutrinos and Hard X-Rays from Relativistic Reconnection in the Corona of NGC 1068

Abstract The recent discovery of astrophysical neutrinos from the Seyfert galaxy NGC 1068 suggests the presence of nonthermal protons within a compact “coronal” region close to the central black hole. The acceleration mechanism of these nonthermal protons remains elusive. We show that a large-scale magnetic reconnection layer, of the order of a few gravitational radii, may provide such a mechanism. In such a scenario, rough energy equipartition between magnetic fields, X-ray photons, and nonthermal protons is established in the reconnection region. Motivated by recent 3D particle-in-cell simulations of relativistic reconnection, we assume that the spectrum of accelerated protons is a broken power law, with the break energy being constrained by energy conservation (i.e., the energy density of accelerated protons is at most comparable to the magnetic energy density). The proton spectrum is dn p / dE p ∝ E p − 1 below the break and dn p / dE p ∝ E p − s above the break, with IceCube neutrino observations suggesting s ≃ 3. Protons above the break lose most of their energy within the reconnection layer via photohadronic collisions with the coronal X-rays, producing a neutrino signal in good agreement with the recent observations. Gamma rays injected in photohadronic collisions are cascaded to lower energies, sustaining the population of electron–positron pairs that makes the corona moderately Compton thick.

Astronomy & Astrophysics↗

Probing Axion-Like-Particles at the CERN Gamma Factory

We report the aim of the proposed CERN Gamma Factory is to produce ≈10 17 photons per second with energies up to 400 MeV. The photon beam intensity is expected to be a factor of $\mathcal{O}$(10 7 ) larger than that of the presently available photon beams in the MeV energy range. In this work, its potential to probe physics beyond the Standard Model is explored. In particular, searches for axion like particles (ALPs) with dominant couplings to photons are discussed and various production scenarios - fixed target, photon-photon collision, and conversion by a magnetic field - and detection schemes considered - via decay to photons or back-conversion. It is found that the Gamma Factory in a fixed target mode can probe ALPs with mass m a ≲ $\mathcal{O}$(100 MeV) and decay constants larger than 10 7 GeV, improving by an order of magnitude the discovery potential of previous beam dump experiments.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

The SN Ia runaway LP 398-9: detection of circumstellar material and surface rotation

ABSTRACT A promising progenitor scenario for Type Ia supernovae (SNeIa) is the thermonuclear detonation of a white dwarf in a close binary system with another white dwarf. After the primary star explodes, the surviving donor can be spontaneously released as a hypervelocity runaway. One such runaway donor candidate is LP 398-9, whose orbital trajectory traces back ≈105 yr to a known supernova remnant. Here, we report the discovery of carbon-rich circumstellar material around LP 398-9, revealed by a strong infrared excess and analysed with follow-up spectroscopy. The circumstellar material is most plausibly composed of inflated layers from the star itself, mechanically and radioactively heated by the past companion’s supernova. We also detect a 15.4 h periodic signal in the UV and optical light curves of LP 398-9, which we interpret as surface rotation. The rotation rate is consistent with theoretical predictions from this supernova mechanism, and the brightness variations could originate from surface inhomogeneity deposited by the supernova itself. Our observations strengthen the case for this double-degenerate SNIa progenitor channel, and motivate the search for more runaway SNIa donors.

79 ASTRONOMY AND ASTROPHYSICS↗

Active anomaly detection for time-domain discoveries

Aims. We present the first evidence that adaptive learning techniques can boost the discovery of unusual objects within astronomical light curve data sets. Methods. Our method follows an active learning strategy where the learning algorithm chooses objects which can potentially improve the learner if additional information about them is provided. This new information is subsequently used to update the machine learning model, allowing its accuracy to evolve with each new information. For the case of anomaly detection, the algorithm aims to maximize the number of scientifically interesting anomalies presented to the expert by slightly modifying the weights of a traditional Isolation Forest (IF) at each iteration. In order to demonstrate the potential of such techniques, we apply the Active Anomaly Discovery (AAD) algorithm to 2 data sets: simulated light curves from the Photometric LSST Astronomical Time-Series Classification Challenge (PLAsTiCC) and real light curves from the Open Supernova Catalog. We compare the AAD results to those of a static IF. For both methods, we performed a detailed analysis for all objects with the ~2% highest anomaly scores. Results. We show that, in the real data scenario , AAD was able to identify ~80% more true anomalies than the IF. This result is the first evidence that AAD algorithms can play a central role in the search for new physics in the era of large scale sky surveys.

79 ASTRONOMY AND ASTROPHYSICS↗

Foundation models for atomistic simulation of chemistry and materials

Conventional computational methods for modeling chemical and materials systems are limited by system size and timescale, forcing a trade-off between quantum-mechanical accuracy and the sampling needed for realistic observables. Large language and vision foundation models — pre-trained on massive datasets using transformer architectures — have revolutionized many fields. It is thus interesting to ask whether a foundation model — subject to suitable data, parameter scaling and training — could enable learned simulations of chemistry and materials. Here, in this study, we review the field of machine-learned interatomic potentials (MLIPs) and posit that scaling up large and diverse chemical and materials datasets and highly expressive architectures using advanced training strategies should result in models that are: more efficient, transferable, robust to out-of-distribution scenarios, and easier to fine-tune to a variety of downstream physical observables than models trained from scratch on small datasets corresponding to specific, targeted atomistic simulation tasks. We provide specific criteria for creating such large-scale MLIP foundation models, coordinated strategies for their development, evaluation and deployment, and highlight potential emergent capabilities that could transform predictive simulations in chemistry and materials science and accelerate discovery across multiple technological domains.

Yuan, Eric C.-Y. [University of California, Berkel↗

Tactical Analysis for Calculating Contextual Risk at Boundaries: Summary of Laboratory Directed Research & Development Effort

The Tactical Analysis for Calculating Contextual Risk at Boundaries (TACCRAB) tool is an innovative digital twin (DT) platform and automated risk algorithm designed to transform operational decision-making in structured screening environments, with an initial focus on Southern Border Land Ports of Entry (POEs). The invention provides integration points for advanced artificial intelligence, predictive modeling, and real-time data analysis to produce a comprehensive risk management tool that enables proactive, data-informed security strategies. The core inventive features of TACCRAB center on its unique risk algorithm, which dynamically calculates contextual risk by synthesizing historical data, near real-time streaming data from the checkpoints themselves, and AI-generated predictions. Unlike traditional risk assessment methods, TACCRAB utilizes a DT to provide comprehensive operational insights, allowing stakeholders to visualize, simulate, and optimize checkpoint configurations with unprecedented speed and contextual awareness. TACCRAB's key innovation lies in its ability to combine multiple complex inputs - including technology detection probabilities, resource availability, screening pathway characteristics, and threat actor behavioral patterns - into a unified risk calculation and update these inputs based on changing operational and environmental conditions. By leveraging a DT that continuously updates and learns from linked data, TACCRAB can suggest adaptive mitigation strategies that minimize risk while maintaining operational efficiency. Particularly novel is the platform's approach to decision support, which goes beyond static risk assessment. The DT provides dynamic metrics such as wait times, resource allocation effectiveness, and potential emerging threat scenarios, enabling users to view sophisticated, relevant what-if simulations and optimize checkpoint operations in near real-time. The system's architecture allows for generalized application across different screening environments, such as secure facilities, ports of entry, and soft targets, making it a versatile tool for security and operational management. The invention distinguishes itself through its comprehensive integration of predictive modeling, AI-driven pattern discovery, and user-friendly interface design. By combining these elements, TACCRAB transforms complex risk data into actionable insights, supporting decision-makers at various organizational levels - from booth agents making split-second screening decisions to checkpoint managers optimizing the day's resource allocation to strategic planners managing long-term investments.

45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗

The X-shaped Radio Galaxy J0725+5835 is Associated with an AGN Pair

X-shaped radio galaxies (XRGs) are those that exhibit two pairs of unaligned radio lobes (main radio lobes and wings). One of the promising models for the peculiar morphology is jet reorientation. To clarify this, we conducted a 5 GHz observation with the European VLBI Network (EVN) of XRG J0725+5835, which resembles the archetypal binary active galactic nuclei (AGNs) 0402+379 in radio morphology, but it is larger in angular size. In our observation, two milliarcsecond-scale radio components with nonthermal radio emission are detected. Each of them coincides with an optical counterpart with similar photometric redshift and (optical and infrared) magnitude, corresponding to dual active nuclei. Furthermore, with the improved Very Large Array (VLA) images, we find a bridge between the two radio cores and a jet bending in the region surrounding the companion galaxy. This further supports the interplay between the main and companion galaxies. In addition, we also report the discovery of an arcsecond-scale jet in the companion. Given the projected separation of ~100 kpc between the main and companion galaxies, XRG J0725+5835 is likely associated with a dual jetted-AGN system. In both EVN and VLA observations, we find signatures that the jet is changing its direction, which is likely responsible for the X-shaped morphology. For the origin of jet reorientation, several scenarios are discussed.

79 ASTRONOMY AND ASTROPHYSICS↗

Efficient mapping between void shapes and stress fields using Deep Convolutional Neural Networks with sparse data

Establishing fast and accurate structure-to-property relationships is an important component in the design and discovery of advanced materials. Physics-based simulation models like the finite element method (FEM) are often used to predict deformation, stress, and strain fields as a function of material microstructure in material and structural systems. Such models may be computationally expensive and time intensive if the underlying physics of the system is complex. This limits their application to solve inverse design problems and identify structures that maximize performance. In such scenarios, surrogate models are employed to make the forward mapping computationally efficient to evaluate. However, the high dimensionality of the input microstructure and the output field of interest often renders such surrogate models inefficient, especially when dealing with sparse data. Deep convolutional neural network (CNN) based surrogate models have shown great promise in handling such high-dimensional problems. In this paper, a single ellipsoidal void structure under a uniaxial tensile load represented by a linear elastic, high-dimensional and expensive-to-query, FEM model. We consider two deep CNN architectures, a modified convolutional autoencoder framework with a fully connected bottleneck and a UNet CNN, and compare their accuracy in predicting the von Mises stress field for any given input void shape in the FEM model. Additionally, a sensitivity analysis study is performed using the two approaches, where the variation in the prediction accuracy on unseen test data is studied through numerical experiments by varying the number of training samples from 20 to 100.

surrogate modeling; convolutional neural networks;↗

Large Scale Study of Ligand–Protein Relative Binding Free Energy Calculations: Actionable Predictions from Statistically Robust Protocols

The accurate and reliable prediction of protein–ligand binding affinities can play a central role in the drug discovery process as well as in personalized medicine. Of considerable importance during lead optimization are the alchemical free energy methods that furnish an estimation of relative binding free energies (RBFE) of similar molecules. Recent advances in these methods have increased their speed, accuracy, and precision. This is evident from the increasing number of retrospective as well as prospective studies employing them. However, such methods still have limited applicability in real-world scenarios due to a number of important yet unresolved issues. Here, we report the findings from a large data set comprising over 500 ligand transformations spanning over 300 ligands binding to a diverse set of 14 different protein targets which furnish statistically robust results on the accuracy, precision, and reproducibility of RBFE calculations. We use ensemble-based methods which are the only way to provide reliable uncertainty quantification given that the underlying molecular dynamics is chaotic. These are implemented using TIES (Thermodynamic Integration with Enhanced Sampling). Results achieve chemical accuracy in all cases. Ensemble simulations also furnish information on the statistical distributions of the free energy calculations which exhibit non-normal behavior. We find that the “enhanced sampling” method known as replica exchange with solute tempering degrades RBFE predictions. We also report definitively on numerous associated alchemical factors including the choice of ligand charge method, flexibility in ligand structure, and the size of the alchemical region including the number of atoms involved in transforming one ligand into another. Our findings provide a key set of recommendations that should be adopted for the reliable application of RBFE methods.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Pathways to Discovery in Astronomy and Astrophysics for the 2020s

We live in an extraordinary period of discovery in astronomy and astrophysics. Six Nobel Prizes have been awarded over the past decade alone for discoveries based on astronomical data (dark energy, gravitational waves, neutrino oscillations, the discovery of exoplanets, cosmology, and supermassive black holes). Many of the ambitious scientific visions of the 2010 New Worlds, New Horizons (Astro2010)1 decadal survey are being fulfilled, but momentum has only grown. We stand on the threshold of new endeavors that will transform not only our understanding of the universe and the processes and physical paradigms that govern it but also humanity’s place in it. This report of the Committee for a Decadal Survey on Astronomy and Astrophysics 2020 (Astro2020) proposes a broad, integrated plan for space- and ground-based astronomy and astrophysics for the decade 2023–2032.2 It also lays the foundations for further advances in the following decade. This is the seventh in a sequence of decadal survey studies in this field from the National Academies of Sciences, Engineering, and Medicine. This survey examines the program of record, providing advice on the major projects from prior surveys that are yet to be completed. It also lays out priorities for future investments driven by scientific opportunities. The recommendations in this report advance foundational activities that support the people who drive innovation and discovery, and that promote the technologies and tools needed to carry out the science. The report also recommends sustaining activities on a broad range of cost and time scales, as well as activities that enable future visionary projects by maturing them scientifically and technically. Last, the recommendations set in motion the construction of frontier facilities that will change the view and understanding of the cosmos. The survey is bounded by plausible budget scenarios based on briefings from the sponsoring agencies— the Department of Energy (DOE), the National Aeronautics and Space Administration (NASA), and the National Science Foundation (NSF). Within these bounds, the survey aims high, reflecting this time of great scientific promise and progress, with opportunities to pursue some of the most compelling scientific quests of our times.

79 ASTRONOMY AND ASTROPHYSICS↗

FIRST J153350.8+272729: The Radio Afterglow of a Decades-old Tidal Disruption Event

We present the discovery of the fading radio transient FIRST J153350.8+272729. The source had a maximum observed 5 GHz radio luminosity of 8 × 10 39 erg s –1 in 1986, but by 2019 had faded by a factor of nearly 400. It is located at the center of a galaxy (SDSS J153350.89+272729) at 147 Mpc, which shows weak Type II Seyfert activity. We show that a tidal disruption event (TDE) is the preferred scenario for FIRST J153350.8+272729, although it could plausibly be interpreted as the afterglow of a long-duration γ-ray burst. This is only the second TDE candidate to be first discovered at radio wavelengths. Its luminosity fills a gap between the radio afterglows of subrelativistic TDEs in the local universe, and relativistic TDEs at high redshifts. The unusual properties of FIRST J153350.8+272729 (ongoing nuclear activity in the host galaxy, high radio luminosity) motivate more extensive TDE searches in untargeted radio surveys.

79 ASTRONOMY AND ASTROPHYSICS↗

Long-lived heavy neutral leptons with a displaced shower signature at $\mathrm{CMS}$

We study the LHC discovery potential in the search for heavy neutral leptons (HNL) with a new signature: a displaced shower in the CMS muon detector, giving rise to a large cluster of hits forming a displaced shower. A new Delphes module is used to model the CMS detector response for such displaced decays. We reinterpret a dedicated CMS search for neutral long-lived particles decaying in the CMS muon endcap detectors for the minimal HNL scenario. We demonstrate that this new strategy is particularly sensitive to active-sterile mixings with τ leptons, due to hadronic τ decays. HNL masses between ~ 1–6 GeV can be accessed for mixings as low as |V τN | 2 ~10 -7 , probing unique regions of parameter space in the τ sector.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Differentiable modelling to unify machine learning and physical models for geosciences

Process-based modelling offers interpretability and physical consistency in many domains of geosciences but struggles to leverage large datasets efficiently. Machine-learning methods, especially deep networks, have strong predictive skills yet are unable to answer specific scientific questions. Here, in this Perspective, we explore differentiable modelling as a pathway to dissolve the perceived barrier between process-based modelling and machine learning in the geosciences and demonstrate its potential with examples from hydrological modelling. ‘Differentiable’ refers to accurately and efficiently calculating gradients with respect to model variables or parameters, enabling the discovery of high-dimensional unknown relationships. Differentiable modelling involves connecting (flexible amounts of) prior physical knowledge to neural networks, pushing the boundary of physics-informed machine learning. It offers better interpretability, generalizability, and extrapolation capabilities than purely data-driven machine learning, achieving a similar level of accuracy while requiring less training data. Additionally, the performance and efficiency of differentiable models scale well with increasing data volumes. Under data-scarce scenarios, differentiable models have outperformed machine-learning models in producing short-term dynamics and decadal-scale trends owing to the imposed physical constraints. Differentiable modelling approaches are primed to enable geoscientists to ask questions, test hypotheses, and discover unrecognized physical relationships. Future work should address computational challenges, reduce uncertainty, and verify the physical significance of outputs.

58 GEOSCIENCES↗

Probing a New Regime of Neutrino Self-Interactions with Astrophysical Neutrinos and the Relativistic Cosmic Neutrino Background

Neutrino self-interactions beyond the standard model have profound implications in astrophysics and cosmology. In this Letter, we study an uncharted scenario in which one of the three neutrino species has a mass smaller than the temperature of the cosmic neutrino background. This results in a relativistic component that significantly broadens the absorption feature on the astrophysical neutrino spectra, in contrast to the sharply peaked absorption expected in the extensively studied scenarios assuming a fully nonrelativistic cosmic neutrino background. By solving the Boltzmann equations for neutrino absorption and regeneration, we demonstrate that this mechanism provides novel sensitivity to sub-keV mediator masses, well below the traditional ∼1–100 MeV range. Future observations of the diffuse supernova neutrino background with Hyper-Kamiokande could probe coupling strengths down to 𝑔 ∼10 −8 , surpassing existing constraints by orders of magnitude. These findings open new directions for discoveries and offer crucial insights into the interplay between neutrinos and the dark sector.

79 ASTRONOMY AND ASTROPHYSICS↗

Machine learning techniques for intermediate mass gap lepton partner searches at the large hadron collider

We consider machine learning techniques associated with the application of a boosted decision tree (BDT) to searches at the Large Hadron Collider (LHC) for pair-produced lepton partners which decay to leptons and invisible particles. This scenario can arise in the minimal supersymmetric Standard Model (MSSM), but can be realized in many other extensions of the Standard Model (SM). We focus on the case of intermediate mass splitting ( ∼ 30 GeV ) between the dark matter (DM) and the scalar. For these mass splittings, the LHC has made little improvement over LEP due to large electroweak backgrounds. We find that the use of machine learning techniques can push the LHC well past discovery sensitivity for a benchmark model with a lepton partner mass of ∼ 110 GeV , for an integrated luminosity of 300 fb − 1 , with a signal-to-background ratio of ∼ 0.3 . The LHC could exclude models with a lepton partner mass as large as ∼ 160 GeV with the same luminosity. The use of machine learning techniques in searches for scalar lepton partners at the LHC could thus definitively probe the parameter space of the MSSM in which scalar muon mediated interactions between SM muons and Majorana singlet DM can both deplete the relic density through dark matter annihilation and satisfy the recently measured anomalous magnetic moment of the muon. We identify several machine learning techniques which can be useful in other LHC searches involving large and complex backgrounds. Published by the American Physical Society 2024

Astronomy & Astrophysics↗

Mixed Ionic Electronic Conducting Quaternary Perovskites: Materials by Design for Solar Thermochemical Hydrogen

The innovative research conducted by Arizona State University and Princeton University in the project "Mixed Ionic-Electronic Conducting Quaternary Perovskites: Materials by Design for Solar Thermochemical Hydrogen" marks a significant stride forward in thermochemical water splitting. Through an intricate blend of computational design and experimental validation, the project delved into the promising potential of Mixed Ionic Electronic Conducting (MIEC) perovskites. These complex materials, characterized by their unique redox-active nature and adaptability in stoichiometry, present a promising frontier for efficient solar thermochemical hydrogen production. Firstly, the research enhanced the science by utilizing state-of-the-art computational methodologies to unravel the nuanced chemical potentials of MIEC perovskites. By simulating various off-stoichiometric scenarios and redox conditions, the team was able to predict material behaviors under diverse environmental conditions, a feat unachievable through conventional experimental methodologies alone. This approach not only fast-tracks the material screening process, significantly reducing the time from laboratory re-search to practical application, but also uncovers trends and correlations that are pivotal for future materials innovation. Regarding technical effectiveness, the project stands out in its economic feasibility. Traditional methods of materials discovery are often marred by high costs and extensive timeframes, owing to the iterative nature of experimental processes. However, by employing theoretical computations and validating these findings with targeted experiments, the project introduced a cost-effective paradigm for materials discovery and the first ever prediction, synthesis, and preliminary validation of a material solely from computational and theoretical considerations. This synergy between computation and experimentation expedites the discovery of optimal materials conducive to high-efficiency solar-to-hydrogen conversion processes. Furthermore, the public stands to benefit substantially from this research. The success of MIEC perovskites in solar thermochemical applications heralds a shift towards lower cost and lower electricity input for clean hydrogen production, hence potentially impacting climate and energy resilience. By improving the efficiency of solar-to-hydrogen conversions, the research paves the way for reduced dependency on fossil fuels, addressing the urgent global need for accessible and renewable energy sources. Moreover, the project's advancements contribute to scientific literacy in renewable energy technologies, empowering society through knowledge and spurring future innovations. In essence, this research project demonstrates significant progress in the realm of advanced water splitting through solar thermochemistry. Through its groundbreaking approaches in computational materials science and its implications for real-world applications, it holds the promise of a cleaner, more energy-resilient future.

08 HYDROGEN↗

Next-generation yeast-two-hybrid analysis with Y2H-SCORES identifies novel interactors of the MLA immune receptor

Protein-protein interaction networks are one of the most effective representations of cellular behavior. In order to build these models, high-throughput techniques are required. Next-generation interaction screening (NGIS) protocols that combine yeast two-hybrid (Y2H) with deep sequencing are promising approaches to generate interactome networks in any organism. However, challenges remain to mining reliable information from these screens and thus, limit its broader implementation. Here, we present a computational framework, designated Y2H-SCORES, for analyzing high-throughput Y2H screens. Y2H-SCORES considers key aspects of NGIS experimental design and important characteristics of the resulting data that distinguish it from RNA-seq expression datasets. Three quantitative ranking scores were implemented to identify interacting partners, comprising: 1) significant enrichment under selection for positive interactions, 2) degree of interaction specificity among multi-bait comparisons, and 3) selection of in-frame interactors. Using simulation and an empirical dataset, we provide a quantitative assessment to predict interacting partners under a wide range of experimental scenarios, facilitating independent confirmation by one-to-one bait-prey tests. Simulation of Y2H-NGIS enabled us to identify conditions that maximize detection of true interactors, which can be achieved with protocols such as prey library normalization, maintenance of larger culture volumes and replication of experimental treatments. Y2H-SCORES can be implemented in different yeast-based interaction screenings, with an equivalent or superior performance than existing methods. Proof-of-concept was demonstrated by discovery and validation of novel interactions between the barley nucleotide-binding leucine-rich repeat (NLR) immune receptor MLA6, and fourteen proteins, including those that function in signaling, transcriptional regulation, and intracellular trafficking.

59 BASIC BIOLOGICAL SCIENCES↗

An Analysis of High Opportunity Geothermal Leasing Areas on BLM and USFS Lands

This analysis, conducted by the National Renewable Energy Laboratory (NREL) with support from the U.S. Department of Energy (DOE) Geothermal Technologies Office (GTO), models potential geothermal deployment on BLM and USFS land for the years 2025, 2030, 2035, and 2050 under various scenarios using the Renewable Energy Potential (reV) model and the Regional Energy Deployment System (ReEDS) model. This report identifies potential future high opportunity geothermal leasing areas (i.e., Best, Middle, and Least identified opportunities) based on available data for geothermal resource potential, natural resource conflicts, and transmission access. In addition, this analysis considers the impacts of the Energy Policy Act of 2005's (EPAct 2005's) default competitive leasing provisions, specifically the impact this may have had on geothermal resource discovery outside of known geothermal resource areas.

15 GEOTHERMAL ENERGY↗